PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals,Journal of Applied Crystallography

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PyQCstrc.ico: a computing package for structural modelling of icosahedral quasicrystals
Journal of Applied Crystallography ( IF 5.2 ) Pub Date : 2021-07-16 , DOI: 10.1107/s1600576721005951
Tsunetomo Yamada ₁

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The atomic structure of quasicrystals (QCs) is described as a section of a higher-dimensional structure that consists of a periodic arrangement of occupation domains (ODs). Determination of the shape of ODs and their partitioning is crucial in the structural analysis of QCs. However, owing to the complicated shape of ODs, building the initial structure model requires a great deal of time and effort. Thus, a computer program for building structure models of QCs is needed. Presented here is a Python3 package for structure modelling of icosahedral QCs.

中文翻译：

PyQCstrc.ico：二十面体准晶体结构建模的计算包

准晶体 (QC) 的原子结构被描述为高维结构的一部分，由周期性排列的占据域 (OD) 组成。 OD 形状及其分配的确定对于 QC 的结构分析至关重要。然而，由于OD的形状复杂，建立初始结构模型需要大量的时间和精力。因此，需要一个用于构建QC结构模型的计算机程序。这里介绍的是一个用于二十面体 QC 结构建模的 Python3 包。

更新日期：2021-08-05

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